7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H13NO3 — CID 112704281

IUPAC7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H13NO3/c1-8(14)7-16-10-4-2-9-3-5-12(15)13-11(9)6-10/h2,4,6H,3,5,7H2,1H3,(H,13,15)
InChIKeyKNFVSVOXTXXPFA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.54
Rot. Bonds3

About 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 112704281) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID112704281
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H13NO3/c1-8(14)7-16-10-4-2-9-3-5-12(15)13-11(9)6-10/h2,4,6H,3,5,7H2,1H3,(H,13,15)
InChIKeyKNFVSVOXTXXPFA-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetamide
CID 114940002
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939921
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
7-[2-methyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075234
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971

Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 112704281) is 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is CC(=O)COc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KNFVSVOXTXXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)7-16-10-4-2-9-3-5-12(15)13-11(9)6-10/h2,4,6H,3,5,7H2,1H3,(H,13,15).
What are the key properties of 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 112704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).